Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23893457 | 0.89 | PTPN1 (0.41) | PTPN1ALDH1A1GAAHPGDMAOB | |
| SCHEMBL25896163 | 0.88 | PTPN1 (0.43) | PTPN1ALDH1A1GAAHPGDMAOB | |
| SCHEMBL23893455 | 0.86 | S1PR1 (0.35) | PTPN1ALDH1A1MAOBMAOA | |
| SCHEMBL23893440 | 0.81 | PTPN1 (0.42) | PTPN1MAOBCYP2C19MAOA | |
| SCHEMBL23395580 | 0.81 | PTPN1 (0.62) | PTPN1ALDH1A1GAAHPGDF2RL3 | |
| SCHEMBL24595686 | 0.80 | MIF (0.42) | ALDH1A1GAAHPGDMAOBKDM4E | |
| SCHEMBL23893424 | 0.80 | ALOX5 (0.39) | PTPN1ALDH1A1 | |
| SCHEMBL27106375 | 0.79 | ALDH1A1 (0.40) | PTPN1ALDH1A1GAAHPGDKDM4E | |
| SCHEMBL22245728 | 0.78 | PTPN1 (0.41) | PTPN1ALDH1A1GAAHPGDMAOB | |
| SCHEMBL21116065 | 0.78 | MAOB (0.36) | ALDH1A1GAAHPGDMAOBSLC16A3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3889135-A1 | COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | Merck Patent GmbH (DE) | 2021-10-06 | — | — | EP | disclosed |